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Chemical ID: 6884242
Chemical ID:
6884242
Name [?]:
N-(4-butylphenyl)-4-[(3-chloro-4-methyl-phenyl)carbamoylmethoxy]benzamide
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(c(c3)Cl)C
InChi [?]:
InChI=1/C26H27ClN2O3/c1-3-4-5-19-7-12-21(13-8-19)29-26(31)20-9-14-23(15-10-20)32-17-25(30)28-22-11-6-18(2)24(27)16-22/h6-16H,3-5,17H2,1-2H3,(H,28,30)(H,29,31)
InChi Info:
AuxInfo=1/1/N:1,32,2,3,4,27,6,10,15,19,26,7,9,16,18,30,21,28,5,14,8,25,17,29,22,12,31,24,11,23,13,20/E:(7,8)(9,10)(12,13)(14,15)/rA:32nCCCCCCCCCCNCOCCCCCCOCCONCCCCCCClC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;s20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H27ClN2O3 |
All Atoms: | 59 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1852 |
Area: | 734.174 |
Solvation: | -5.16914 |
Coulombic: | -51.4853 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 450.957 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.53 |
LogP (Chemaxon): | 6.57 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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